YF3

Yttrium trifluoride · Yttrium(III) fluoride

Yttrium trifluoride is a stable, insulating fluoride compound widely utilized in the production of optical coatings and specialized laser materials.

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Crystal structure of YF3
Ground-state structure · Materials Project
Overview

About Yttrium trifluoride

Yttrium trifluoride is a thermodynamically stable inorganic compound that exhibits characteristic wide-band-gap insulating behavior. Its structural versatility is highlighted by the extensive number of reported crystalline arrangements, making it a highly significant material for specialized chemical and physical research.

Due to its robust stability and optical transparency, this compound serves as a critical component in thin-film deposition and high-performance optical coatings. It is also frequently utilized as a starting material for synthesizing yttrium-based phosphors and various doped laser crystals.

At a glance

Key Properties

Cross-validated computational properties for Yttrium trifluoride, aggregated across 3 databases.

Band Gap

5.62–7.55 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

116
3 databases, 23 space groups
Uses

Applications

Where Yttrium trifluoride is used.

Optical thin-film coatingsPrecursor for laser materialsSynthesis of phosphorsFluoride glass production
Reference

Frequently Asked Questions

Common questions about Yttrium trifluoride, answered from cross-validated data.

What is YF3?

Yttrium trifluoride is a stable, insulating fluoride compound widely utilized in the production of optical coatings and specialized laser materials.

More questions
What is YF3 used for?
Yttrium trifluoride (YF3) is used in optical thin-film coatings, precursor for laser materials, synthesis of phosphors, and fluoride glass production.
What is the band gap of YF3?
Yttrium trifluoride (YF3) has a DFT-computed band gap of 5.62–7.55 eV across 116 reported structures.
Is YF3 a metal, semiconductor, or insulator?
With a wide band gap up to 7.55 eV it is an insulator / wide-band-gap material.
Is YF3 thermodynamically stable?
Yes — Yttrium trifluoride (YF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of YF3 are known?
116 structures of YF3 are reported across 3 databases, spanning 23 distinct space groups.
What elements does YF3 contain?
Yttrium trifluoride (YF3) contains F and Y (2 elements).
Where does the data for YF3 come from?
YF3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone fluoride in this context, Yttrium trifluoride represents a foundational material for high-stability optical applications, serving as a benchmark for insulating performance within the broader family of rare-earth halides.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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